SCHEMBL3058822

SCHEMBL3058822

CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.54
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CACNA1H O95180 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
BACE1 P56817 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13737553 0.84 TSHR (0.62) ALDH1A1L3MBTL1TSHR
SCHEMBL3058446 0.74 ALDH1A1 (0.47) AADATALDH1A1BACE1
SCHEMBL3069103 0.74 L3MBTL1 (0.52) CACNA1HL3MBTL1
SCHEMBL3064281 0.73 AADAT (0.46) AADATALDH1A1BACE1
SCHEMBL3067561 0.73 AADAT (0.46) AADATALDH1A1BACE1
Hydrochloric Acid SCHEMBL4736117 0.73 L3MBTL1 (0.51) CACNA1HL3MBTL1
Hydrochloric Acid SCHEMBL4782319 0.73 L3MBTL1 (0.51) CACNA1HL3MBTL1
SCHEMBL21206773 0.71 AADAT (0.80) AADAT
Hydrochloric Acid SCHEMBL20489587 0.70 AADAT (0.79) AADAT
Hydrochloric Acid SCHEMBL20489589 0.70 AADAT (0.79) AADAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AADAT 3680/4885ALDH1A1 957/4885POLB 4856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.